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BAY-850 | Inhibitor of ATAD2
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
ATAD2
  • IC50:22-166 nM
  • IC50:157 nM
  • Kd:115 nM
  • Kd:85 nM
  • GI50:1260 - 580 nM
Inhibitor
up to 1 uM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
The selectivity profile of BAY-850 was initially investigated in the BROMOscan panel, where it hits ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Outside Target Family: BAY-850 showed no inhibitory activity in a panel of 354 kinases and had only ...

Potency
Cellular
In Vitro

ATAD2

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acschembio.7b00708

Negative Control Compounds

BAY-460
Notes: BAY-460 is a companion control compound with strongly reduced potency against ATAD2 (HTRF IC50 = 16 µM, no activity in BROMOscan at 10 µM test concentration
SMILES: CC1=CC=C(C=C1)[C@@H](C)NCC2=CC=C(C3=CC(=C(C=C3)Cl)C(=O)N[C@@H](CC4=CC=C(C=C4)C#N)CC(=O)NC)O2

Orthogonal Probes def

GSK8814

Chemical Information

Molecular Formula C38H44ClN5O3
SMILEs COc1cc(Cl)c(C(=O)N[C@@H](CN[C@H]2CC[C@@H](N)CC2)Cc2ccc(C#N)cc2)cc1-c1ccc(CN[C@H](C)c2ccc(C)cc2)o1
InChI InChI=1S/C38H44ClN5O3/c1-24-4-10-28(11-5-24)25(2)42-23-32-16-17-36(47-32)34-19-33(35(39)20-37(34)46-3)38(45)44-31(18-26-6-8-27(21-40)9-7-26)22-43-30-14-12-29(41)13-15-30/h4-11,16-17,19-20,25,29-31,42-43H,12-15,18,22-23,41H2,1-3H3,(H,44,45)/t25-,29-,30+,31-/m1/s1
Molecular weight 653.31 Da
AlogP 6.840100000000007
HBond acceptors 8
HBond donors 5
Atoms 91

References

Publications

Cross References

ChEMBL BindingDB canSAR SGC

Vendors

Note: This is not an exhaustive list and does not indicate endorsement by the Portal.

Expert Reviews

by SERP
(on 23 Jul 2021)
Cellular Use Rating
The discovery of BAY-850 was facilitated by optimisation of hits from a DNA encoded library screen. It shows remarkable specificity for the ATAD2 BD and does not interact with the closely related ATAD2B...
by SERP
(on 9 Aug 2021)
Cellular Use Rating
BAY-850 was identified from a DNA Encoded Library screen and optimised to what appears to be a useful ATAD2 probe with impressive selectivity both within the target class and more broadly. Notably,...
by SERP
(on 16 Sept 2021)
Cellular Use Rating
It is unclear whether the cytotoxicity observed between 5-10 uM is a result of on-target effects of ATAD2 inhibition. Thus, concentrations, where cell toxicity is observed, should not be the primary...
Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria